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BDBM50468132 CHEMBL4289922

SMILES: CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1

InChI Key: InChIKey=WILOTRUGSQCRHL-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50468132   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50468132
PNG
(CHEMBL4289922)
Show SMILES CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of MK-499 binding to human ERG


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468132
PNG
(CHEMBL4289922)
Show SMILES CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor


(Mus musculus)
BDBM50468132
PNG
(CHEMBL4289922)
Show SMILES CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468132
PNG
(CHEMBL4289922)
Show SMILES CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor


(Mus musculus)
BDBM50468132
PNG
(CHEMBL4289922)
Show SMILES CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair